6P6L
HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Non-structural protein 4A,Serine protease NS3 | polymer | 203 | 21503.3 | 1 | UniProt (P26664) | Hepatitis C virus genotype 1a (isolate 1) (HCV) | |
| 2 | B, C, D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 3 | F, G (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | H (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | I (A) | Glecaprevir | non-polymer | 838.9 | 1 | Chemie (O31) PubChem (56947796) PubChem (66828839) PubChem (76470875) PubChem (126500293) PubChem (129635886) PubChem (138106598) PubChem (135001637) PubChem (156758105) PubChem (138107849) PubChem (138991601) PubChem (169503089) PubChem (154809629) PubChem (156610561) PubChem (156963402) PubChem (162567290) PubChem (162569936) | |||
| 6 | J (A) | water | water | 18.0 | 286 | Chemie (HOH) |
Sequence modifications
A: 990 - 1000 (UniProt: P26664)
A: 1004 - 1182 (UniProt: P26664)
| PDB | External Database | Details |
|---|---|---|
| Gly 980 | - | expression tag |
| Ser 981 | - | expression tag |
| His 982 | - | expression tag |
| Met 983 | - | expression tag |
| Ala 984 | - | expression tag |
| Ser 985 | - | expression tag |
| Met 986 | - | expression tag |
| Lys 987 | - | expression tag |
| Lys 988 | - | expression tag |
| Lys 989 | - | expression tag |
| Ser 991 | Cys 1679 | engineered mutation |
| Ile 998 | Val 1686 | engineered mutation |
| Asn 999 | Val 1687 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ser 1001 | - | linker |
| Gly 1002 | - | linker |
| Asp 1003 | - | linker |
| Glu 1013 | Leu 1039 | engineered mutation |
| Glu 1014 | Leu 1040 | engineered mutation |
| Gln 1017 | Ile 1043 | engineered mutation |
| Glu 1018 | Ile 1044 | engineered mutation |
| Gln 1021 | Leu 1047 | engineered mutation |
| Thr 1040 | Ala 1066 | engineered mutation |
| Ser 1047 | Cys 1073 | engineered mutation |
| Leu 1052 | Cys 1078 | engineered mutation |
| Thr 1072 | Ile 1098 | engineered mutation |
| Lys 1080 | Gln 1106 | engineered mutation |
| Gln 1086 | Pro 1112 | engineered mutation |
| Ser 1159 | Cys 1185 | engineered mutation |
| Ser 1174 | Asn 1200 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21503.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1344.7 | |
| All* | Total formula weight | 22848.0 |
